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Molecular orbital theory is powerful both as a conceptual tool for understanding chemical bonding, and as a theoretical framework for ab initio quantum chemistry. Despite its undoubted success, MO theory has well documented shortcomings,…
The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs)…
Antiferromagnetic coupling between ferromagnetic layers has been observed for the first time in all-semiconductor superlattice structure EuS/PbS(001), by neutron scattering and magnetization measurements. Spin-dependent superlattice band…
Spin-dependent transport is investigated in ballistic regime through the interface between a ferromagnet and a spin spiral. We show that spin-dependent interferences lead to a new type of diffraction called "spin-diffraction". It is shown…
We report theoretical investigations on the role of interfacial bonding mechanism and its resulting structures to quantum transport in molecular wires. Two bonding mechanisms for the Au-S bond in an Au(111)/1,4-benzenedithiol(BDT)/Au(111)…
The conversion of spin information into electrical signals is indispensable for spintronic technologies. Spin-to-charge conversion in ferromagnetic tunnel contacts is well-described using linear (spin-)transport equations, provided that…
As a nuclear spin model of scalable quantum register, the one-dimensional chain of the magnetic atoms with nuclear spins 1/2 substituting the basic atoms in the plate of nuclear spin free easy-axis 3D antiferromagnet is considered. It is…
Using first-principles density functional calculations, electronic and optical properties of ferromagnetic semiconductor EuO are investigated. In particular, we have developed a way to obtain the spin-dependent optical response of the…
This paper contains the details of Phys. Rev. Lett. 73, 2919 (1994) and, to a lesser extent, Phys. Rev. Lett. 72, 3710 (1994). We treat a Hubbard model which includes all the 3d states of the Cu ions and the 2p states of the O ions. We also…
We report the observation and manipulation of heteronuclear spin dynamics in a spin-1 mixture of ultracold $^{87}$Rb and $^{23}$Na atoms. The dynamics is driven by the interspecies spin-dependent interaction and shows a pronounced…
The essential role of synthetic spin-orbit coupling in discovering new topological matter phases with cold atoms is widely acknowledged. However, the engineering of spin-orbit coupling remains unclear for arbitrary-spin models due to the…
In type II multiferroics, noncollinear spin textures are expected to induce electric polarization directly, leading to strong magnetoelectric coupling. Realizing such spin driven multiferroicity in two-dimensional systems, and elucidating…
Effects of the interchannel coupling on the spin polarization of energetic photoelectrons emitted from atomic Ne valence subshells are examined. Like previously obtained results for cross sections and angular distributions, the…
We investigate the nuclear dynamics near a real-valued conical intersection that is perturbed by a complex-valued spin-orbit coupling. For a model Hamiltonian with two outgoing channels, we find that even a small spin-orbit coupling can…
Ring exchange is an elementary interaction for modeling unconventional topological matters which hold promise for efficient quantum information processing. We report the observation of four-body ring-exchange interactions and the…
We study the strong-field interaction of a helical bi-chromatic pump with an anisotropic and inhomogeneous molecular system in the form of planar distribution of radially aligned molecular ensemble. This setting gives rise to macroscopic…
Recent inelastic neutron diffraction measurements on Cr$_2$(Te, W, Mo)O$_6$ have revealed that these systems consist of bilayers of spin-3/2 Cr$^{3+}$ ions with strong antiferromagnetic inter-bilayer coupling and tuneable intra-bilayer…
We study electronic and magnetic properties of the quasi-one-dimensional spin-1/2 magnet Ba3Cu3Sc4O12 with a distinct orthogonal connectivity of CuO4 plaquettes. An effective low-energy model taking into account spin-orbit coupling was…
We study the problem of two harmonically trapped atoms in the presence of spin-orbital-angular-momentum (SOAM) coupling. The two-body energy spectrum is numerically calculated by utilizing the exact diagonalization method. We analyze how…
We predict the appearance of a persistent spin current in a two-dimensional electron gas formed at the interface of multiferroic oxides with a transverse helical magnetic order. No charge current is generated. This is the result of an…